Re: [AMBER] can't compile

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 7 Mar 2018 10:20:35 -0500

Hi,

I've had a lot of issues using stock MPI distributions (from e.g.
ubuntu, debian, etc) - things like weird memory errors. I recommend
downloading mpich yourself and using configure_mpich or
configure_openmpi to install it into your Amber directory and using
that instead.

-Dan

On Wed, Mar 7, 2018 at 10:02 AM, Ryan Richter
<ryan.tau.solarneutrino.net> wrote:
> testing [C++ / fortran] cross-compile with MPI libs
>
> Error! Could not link C++ mpi code using mpi fortran linker:
> "mpif90 -lstdc++ -lmpi_cxx"
> [C++ / fortran / MPI] cross-linking is needed for cuda_parallel and EMIL
> builds.
> Try: "mpif90 -show"
> Configure failed due to the errors above!
>
> $ mpif90 -show
> ln -s /usr/lib/mpich/include/mpif.h mpif.h
> gfortran -L/usr/lib/mpich/lib -lmpichf90 -lmpich -lpthread -lrt
> rm -f mpif.h
>
> This is on a debian system with the gnu compilers. I have
> libmpich1.0-dev
> libmpich1.0gf
> mpich-bin
> installed. What's wrong?
>
> Thanks,
> -ryan
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 07 2018 - 07:30:03 PST
Custom Search